SCHEMBL3065624

SCHEMBL3065624

CC(C)(C)OC(=O)C1Cn2ccc3c(C(=O)NCc4ccc(C(=O)NOC5CCCCO5)cc4)ccc(c32)CN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
EPHX2 P34913 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 10/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK11 Q15759 5/20 0.32
DDR1 Q08345 3/20 0.32
DDR2 Q16832 3/20 0.32
MAP3K20 Q9NYL2 2/20 0.32
ABL1 P00519 1/20 0.32
FGFR3 P22607 1/20 0.32
MAP3K4 Q9Y6R4 1/20 0.32
TNF P01375 1/20 0.32
KIT P10721 1/20 0.32
MYLK4 Q86YV6 1/20 0.32
RPS6KA6 Q9UK32 1/20 0.32
MAP3K2 Q9Y2U5 1/20 0.32
GSTP1 P09211 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3058652 0.91 P2RX3 (0.36) P2RX3EPHX2MAPK14MAPK11DDR1
SCHEMBL3048681 0.85 HDAC6 (0.40) TP53LMNA
SCHEMBL3044393 0.84 NR1H4 (0.39) EPHX2TP53LMNATDP1
SCHEMBL3060172 0.84 L3MBTL1 (0.37) TP53LMNAALDH1A1
SCHEMBL3065623 0.74 LMNA (0.42) P2RX3TP53LMNATDP1
SCHEMBL3050218 0.73 MEN1 (0.30)
SCHEMBL6336840 0.70
SCHEMBL8078748 0.70 SMN1; SMN2 (0.38) P2RX3TP53LMNATDP1
SCHEMBL3058644 0.70 P2RX3 (0.40) P2RX3EPHX2MAPK14MAPK11DDR1
SCHEMBL3050327 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 P2RX3 4527/4885EPHX2 3047/4885TP53 251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.